N-(4-methylphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H17N5 — CID 1429571

IUPACN-(4-methylphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(Nc2ccc(C)cc2)n2ncnc2n1
InChIInChI=1S/C15H17N5/c1-3-4-13-9-14(20-15(19-13)16-10-17-20)18-12-7-5-11(2)6-8-12/h5-10,18H,3-4H2,1-2H3
InChIKeyXJUQIJQULBSPFU-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.13
Rot. Bonds4

About N-(4-methylphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(4-methylphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 1429571) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID1429571
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-(4-methylphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1cc(Nc2ccc(C)cc2)n2ncnc2n1
InChIInChI=1S/C15H17N5/c1-3-4-13-9-14(20-15(19-13)16-10-17-20)18-12-7-5-11(2)6-8-12/h5-10,18H,3-4H2,1-2H3
InChIKeyXJUQIJQULBSPFU-UHFFFAOYSA-N
XLogP3.13
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(4-methylphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 1429571) is N-(4-methylphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(4-methylphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(4-methylphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCCc1cc(Nc2ccc(C)cc2)n2ncnc2n1.
What is the InChIKey of N-(4-methylphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XJUQIJQULBSPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-3-4-13-9-14(20-15(19-13)16-10-17-20)18-12-7-5-11(2)6-8-12/h5-10,18H,3-4H2,1-2H3.
What are the key properties of N-(4-methylphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(4-methylphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 267.34 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 1429571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).